SCHEMBL809654

SCHEMBL809654

C=Cc1cccc(CCCCBr)c1OC(C)=O

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 2/20 0.40
PPARG P37231 1/20 0.40
PPARA Q07869 1/20 0.40
THRA P10827 1/20 0.38
THRB P10828 1/20 0.38
ALOX5 P09917 2/20 0.35
ACHE P22303 1/20 0.34
PTGER4 P35408 3/20 0.34
PTGER3 P43115 3/20 0.34
PTGER2 P43116 3/20 0.34
PTGER1 P34995 1/20 0.33
KDM4E B2RXH2 2/20 0.33
MAPK1 P28482 1/20 0.33
ALDH1A1 P00352 1/20 0.33
HPGD P15428 1/20 0.33
HSD17B10 Q99714 1/20 0.33
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
CYP4F2 P78329 1/20 0.32
CYP4A11 Q02928 1/20 0.32

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL9509076 0.80 PPARA (0.54) PTGS2PPARGPPARATHRATHRB
SCHEMBL809798 0.79 ACHE (0.38) PPARGPPARAACHEKDM4EMAPK1
SCHEMBL9163540 0.77 KDM4E (0.52) PTGS2PPARGPPARAKDM4EMAPK1
SCHEMBL27589909 0.77 GABRA1 (0.41) PPARGPPARAACHEKDM4EMAPK1
SCHEMBL9715164 0.76 KDM4E (0.50) PTGS2PPARGPPARAALOX5PTGER4
SCHEMBL7027241 0.73 ALDH1A1 (0.38) THRATHRBALDH1A1
SCHEMBL8626853 0.72 CA1 (0.46) THRBKDM4EMAPK1ALDH1A1HPGD
SCHEMBL2918517 0.72 MAPK1 (0.56) PTGS2ACHEKDM4EMAPK1ALDH1A1
SCHEMBL3916235 0.72 KDM4E (0.56) ACHEKDM4EMAPK1ALDH1A1HPGD
SCHEMBL7031317 0.72 ALDH1A1 (0.36) THRATHRBALDH1A1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2012015977-A3 HIGHLY PORTABLE AND STABLE WORK STATION HERSCHLER MATTHEW B (US) 2012-05-10 WO disclosed
EP-2192645-B1 SEPARATION MEMBRANE FOR DIRECT LIQUID FUEL CELL AND METHOD FOR PRODUCING THE SAME TOKUYAMA CORP (JP) 2011-11-30 EP disclosed
US-20110250525-A1 SEPARATION MEMBRANE FOR DIRECT LIQUID FUEL CELL AND METHOD FOR PRODUCING THE SAME TOKUYAMA CORPORATION (JP) 2011-10-13 US disclosed
EP-2192645-A1 SEPARATION MEMBRANE FOR DIRECT LIQUID FUEL CELL AND METHOD FOR PRODUCING THE SAME Tokuyama Corporation (JP) 2010-06-02 EP disclosed